Project name: SH3_S114R

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA114R
Energy difference between WT (input) and mutated protein (by FoldX)	-1.40301 kcal/mol Changes in protein stability upon mutation are calculated using the FoldX forcefield. Computational prediction of protein stability is used with the intention of preventing the experimental characterization of proteins bearing mutations that significantly destabilize their structure. Mutations resulting in a predicted reduction in protein stability ≥ 1 kcal/mol are considered disruptive.

• Minimal score value: -3.1028
• Maximal score value: 1.7173
• Average score: -1.1298
• Total score value: -64.4014

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
85	T	A	0.4454
86	L	A	0.6591
87	F	A	0.0000
88	V	A	0.3181
89	A	A	0.0000
90	L	A	-0.1785
91	Y	A	-0.5748
92	D	A	-2.5599
93	Y	A	-1.9315
94	E	A	-2.6452
95	A	A	-2.6259
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.1028
99	D	A	-3.0434
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2059
103	F	A	0.0000
104	H	A	-2.7282
105	K	A	-2.4059
106	G	A	-1.4857
107	E	A	-1.3428
108	K	A	-0.7255
109	F	A	0.0000
110	Q	A	-0.6172
111	I	A	-0.5805
112	L	A	-0.2978
113	N	A	-1.7473
114	R	A	-2.9152	mutated: SA114R
115	S	A	-2.4341
116	E	A	-3.0812
117	G	A	-2.5795
118	D	A	-2.8333
119	W	A	-1.4778
120	W	A	-1.7679
121	E	A	-1.5862
122	A	A	0.0000
123	R	A	-1.7430
124	S	A	0.0000
125	L	A	0.0353
126	T	A	-0.4730
127	T	A	-0.8207
128	G	A	-1.3572
129	E	A	-2.2401
130	T	A	-1.7046
131	G	A	-1.5141
132	Y	A	-1.0687
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-1.2431
136	N	A	-1.1534
137	Y	A	-0.1509
138	V	A	0.0000
139	A	A	0.3367
140	P	A	0.6755
141	V	A	1.7173